Geometry & MOs

Info

ID:	388729
PubChem CID:	134990000
Reduced:	O2N3H5F6C7 (1)
Stoich.:	A2B3C5D6E7 (1)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	-317.73
Dipole, Da:	3.17
IP(EA), eV:	-11.36(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-3-(3-methylbut-2-enyl)chromen-2-one

Drug info:

PubChemData

Smile

COC(=O)C1=CN=NN1C(C(C(F)(F)F)F)(F)F

DOS

IR

Vibrations